[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane

C23H38O4SSi — CID 11729858

IUPAC[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@@H]1/C=C\CC(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C23H38O4SSi/c1-8-19-13-12-16-21(28(24,25)20-14-10-9-11-15-20)17-22(18(2)26-19)27-29(6,7)23(3,4)5/h9-15,18-19,21-22H,8,16-17H2,1-7H3/b13-12-/t18-,19-,21?,22+/m1/s1
InChIKeyRYRBGUGUGYZLRT-XKALENABSA-N
MW438.71 g/mol
LogP5.75
Rot. Bonds5

About [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11729858) has the molecular formula C23H38O4SSi and a molecular weight of 438.71 g/mol. Its IUPAC name is [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11729858
Molecular FormulaC23H38O4SSi
Molecular Weight438.71 g/mol
Exact Mass438.23
IUPAC Name[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@@H]1/C=C\CC(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C23H38O4SSi/c1-8-19-13-12-16-21(28(24,25)20-14-10-9-11-15-20)17-22(18(2)26-19)27-29(6,7)23(3,4)5/h9-15,18-19,21-22H,8,16-17H2,1-7H3/b13-12-/t18-,19-,21?,22+/m1/s1
InChIKeyRYRBGUGUGYZLRT-XKALENABSA-N
XLogP5.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.71
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,5R)-3-(benzenesulfonyl)-5-methoxy-2-methylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 90873445
[(3S)-1-[(2S,5R)-5-[2-(benzenesulfonyl)ethyl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl]oxy-triethylsilane
CID 141676408
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11227178
6-(Benzenesulfonyl)hexan-2-yloxy-tri(propan-2-yl)silane
CID 72747865
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588
2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 102127109

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane (CID 11729858) is [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane is CC[C@@H]1/C=C\CC(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RYRBGUGUGYZLRT-XKALENABSA-N. The full InChI is InChI=1S/C23H38O4SSi/c1-8-19-13-12-16-21(28(24,25)20-14-10-9-11-15-20)17-22(18(2)26-19)27-29(6,7)23(3,4)5/h9-15,18-19,21-22H,8,16-17H2,1-7H3/b13-12-/t18-,19-,21?,22+/m1/s1.
What are the key properties of [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 438.71 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).